SCHEMBL11069376

SCHEMBL11069376

CN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.75
ALB P02768 2/20 0.75
OPRK1 P41145 2/20 0.75
KCNH2 Q12809 2/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
ADORA1 P30542 1/20 0.75
OPRM1 P35372 1/20 0.75
DRD3 P35462 1/20 0.75
PDE4D Q08499 1/20 0.75
GABRB2 P47870 6/20 0.72
GABRA1 P14867 4/20 0.72
GABRA2 P47869 3/20 0.72
KDM4E B2RXH2 1/20 0.72
LMNA P02545 1/20 0.72
CYP3A4 P08684 1/20 0.72
CHRM1 P11229 1/20 0.72
HPGD P15428 1/20 0.72
GABRB1 P18505 1/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13217954 0.93 GABRB2 (0.83) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL6642164 0.93 GABRB2 (0.66) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL10526954 0.89 TSPO (0.68) TSPOALBOPRK1KCNH2NR1I2
Alpidem SCHEMBL4014704 0.87 TSPO (0.83) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL13217931 0.86 TSPO (0.60) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL3022501 0.86 TSPO (0.60) TSPOALBOPRK1KCNH2NR1I2
Alpidem SCHEMBL122619 0.86 TSPO (1.00) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL23624275 0.85 TSPO (0.69) TSPOALBOPRK1KCNH2NR1I2
SCHEMBL8150 0.84 GABRA2 (0.70) TSPOALBOPRK1KCNH2NR1I2
Zolpidem SCHEMBL80516 0.84 GABRB2 (1.00) TSPOALBOPRK1KCNH2NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460592-A HYPNOTIC SYNTHELABO 1984-07-17 US disclosed